NCI:610488
BBtclserve11129919352D 0   0.00000     0.00000207429
999-99-9
 20 22  0  0  0  0  0  0  0  0  1 V2000
    3.7321   -1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -1.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709   -1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -2.7196    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3230    0.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703    0.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709   -1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709   -1.9106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    1.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9192    2.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8973    2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    2.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2574    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  3  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 20  2  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END